A liquid-state theory for electron correlation functions and thermodynamics

被引：4
|
作者：
Zhao, Shuangliang [1 ]
Feng, Pingyun [2 ]
Wu, Jianzhong [1 ,3 ]
机构：
[1] Univ Calif Riverside, Dept Chem & Environm Engn, Riverside, CA 92521 USA
[2] Univ Calif Riverside, Dept Chem, Riverside, CA 92521 USA
[3] Univ Calif Riverside, Dept Math, Riverside, CA 92521 USA
来源：
CHEMICAL PHYSICS LETTERS | 2013年 / 556卷
基金：
美国国家科学基金会;
关键词：
FREE-ENERGY MODEL; MIXTURES; GAS;
D O I：
10.1016/j.cplett.2012.11.022
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
Correlation functions play an important role in determining the structural and energetic properties of electronic systems. However, exact results are available only for ideal systems free of electrostatic interactions. Here we present a liquid-state method that combines classical mapping of the Pauli exclusion principle with the universality ansatz of the bridge functional. We show excellent agreement of the new method with quantum Monte Carlo simulation for predicting the electronic correlation functions and thermodynamic properties of uniform electron systems. (C) 2012 Elsevier B. V. All rights reserved.
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页码：336 / 340
页数：5
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